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850079-25-3 | 2-Naphthalenesulfonic acid, 4-hydroxy-6-[(phenoxycarbonyl)amino]-
CAS No: 850079-25-3 Catalog No: AG004QCG MDL No:
Product Description
Catalog Number:
AG004QCG
Chemical Name:
2-Naphthalenesulfonic acid, 4-hydroxy-6-[(phenoxycarbonyl)amino]-
CAS Number:
850079-25-3
Molecular Formula:
C17H13NO6S
Molecular Weight:
359.3532
IUPAC Name:
4-hydroxy-6-(phenoxycarbonylamino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C17H13NO6S/c19-16-10-14(25(21,22)23)8-11-6-7-12(9-15(11)16)18-17(20)24-13-4-2-1-3-5-13/h1-10,19H,(H,18,20)(H,21,22,23)
InChI Key:
CVAFGYOSUODJFN-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)O
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.046g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
359.352g/mol
Monoisotopic Mass:
359.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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